methyl 3'-[tert-butyl(dimethyl)silyl]oxy-3'a-prop-2-enylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indene]-1'-carboxylate

C22H34O5Si — CID 13396913

IUPACmethyl 3'-[tert-butyl(dimethyl)silyl]oxy-3'a-prop-2-enylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indene]-1'-carboxylate
SMILESC=CCC12CC3(CCC1=C(C(=O)OC)C=C2O[Si](C)(C)C(C)(C)C)OCCO3
InChIInChI=1S/C22H34O5Si/c1-8-10-21-15-22(25-12-13-26-22)11-9-17(21)16(19(23)24-5)14-18(21)27-28(6,7)20(2,3)4/h8,14H,1,9-13,15H2,2-7H3
InChIKeyKDZBAKREVORIAS-UHFFFAOYSA-N
MW406.60 g/mol
LogP4.86
Rot. Bonds5

About methyl 3'-[tert-butyl(dimethyl)silyl]oxy-3'a-prop-2-enylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indene]-1'-carboxylate

methyl 3'-[tert-butyl(dimethyl)silyl]oxy-3'a-prop-2-enylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indene]-1'-carboxylate (PubChem CID 13396913) has the molecular formula C22H34O5Si and a molecular weight of 406.60 g/mol. Its IUPAC name is methyl 3'-[tert-butyl(dimethyl)silyl]oxy-3'a-prop-2-enylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indene]-1'-carboxylate.

Molecular Properties

Compound Namemethyl 3'-[tert-butyl(dimethyl)silyl]oxy-3'a-prop-2-enylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indene]-1'-carboxylate
PubChem CID13396913
Molecular FormulaC22H34O5Si
Molecular Weight406.60 g/mol
Exact Mass406.22
IUPAC Namemethyl 3'-[tert-butyl(dimethyl)silyl]oxy-3'a-prop-2-enylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indene]-1'-carboxylate
SMILESC=CCC12CC3(CCC1=C(C(=O)OC)C=C2O[Si](C)(C)C(C)(C)C)OCCO3
InChIInChI=1S/C22H34O5Si/c1-8-10-21-15-22(25-12-13-26-22)11-9-17(21)16(19(23)24-5)14-18(21)27-28(6,7)20(2,3)4/h8,14H,1,9-13,15H2,2-7H3
InChIKeyKDZBAKREVORIAS-UHFFFAOYSA-N
XLogP4.86
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.60
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-4-[(1R,4S,5R)-5-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-3-enyl]-1-methyl-4-(2-methyl-1,3-dioxolan-2-yl)cyclopent-2-en-1-yl]-2-methylbut-2-enoate
CID 15835240
Ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxy-3-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)cyclobutylidene]acetate
CID 44248110

Frequently Asked Questions

What is the IUPAC name of methyl 3'-[tert-butyl(dimethyl)silyl]oxy-3'a-prop-2-enylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indene]-1'-carboxylate?
The IUPAC name of methyl 3'-[tert-butyl(dimethyl)silyl]oxy-3'a-prop-2-enylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indene]-1'-carboxylate (CID 13396913) is methyl 3'-[tert-butyl(dimethyl)silyl]oxy-3'a-prop-2-enylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indene]-1'-carboxylate.
What is the SMILES notation for methyl 3'-[tert-butyl(dimethyl)silyl]oxy-3'a-prop-2-enylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indene]-1'-carboxylate?
The canonical SMILES for methyl 3'-[tert-butyl(dimethyl)silyl]oxy-3'a-prop-2-enylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indene]-1'-carboxylate is C=CCC12CC3(CCC1=C(C(=O)OC)C=C2O[Si](C)(C)C(C)(C)C)OCCO3.
What is the InChIKey of methyl 3'-[tert-butyl(dimethyl)silyl]oxy-3'a-prop-2-enylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indene]-1'-carboxylate?
The InChIKey is KDZBAKREVORIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O5Si/c1-8-10-21-15-22(25-12-13-26-22)11-9-17(21)16(19(23)24-5)14-18(21)27-28(6,7)20(2,3)4/h8,14H,1,9-13,15H2,2-7H3.
What are the key properties of methyl 3'-[tert-butyl(dimethyl)silyl]oxy-3'a-prop-2-enylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indene]-1'-carboxylate?
methyl 3'-[tert-butyl(dimethyl)silyl]oxy-3'a-prop-2-enylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indene]-1'-carboxylate has a molecular weight of 406.60 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3'-[tert-butyl(dimethyl)silyl]oxy-3'a-prop-2-enylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indene]-1'-carboxylate is sourced from PubChem (CID 13396913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).